N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

C32H32F4N4O2 — CID 11556070

IUPACN-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(C(NC(=O)CC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c2ccc(F)cc2)cn1
InChIInChI=1S/C32H32F4N4O2/c1-42-30-11-4-25(19-37-30)31(24-2-7-27(33)8-3-24)38-29(41)18-22-12-15-39(16-13-22)20-23-14-17-40(21-23)28-9-5-26(6-10-28)32(34,35)36/h2-11,14,17,19,21-22,31H,12-13,15-16,18,20H2,1H3,(H,38,41)
InChIKeySMFCCQJEADYLPJ-UHFFFAOYSA-N
MW580.63 g/mol
LogP6.55
Rot. Bonds9

About N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 11556070) has the molecular formula C32H32F4N4O2 and a molecular weight of 580.63 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID11556070
Molecular FormulaC32H32F4N4O2
Molecular Weight580.63 g/mol
Exact Mass580.25
IUPAC NameN-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(C(NC(=O)CC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c2ccc(F)cc2)cn1
InChIInChI=1S/C32H32F4N4O2/c1-42-30-11-4-25(19-37-30)31(24-2-7-27(33)8-3-24)38-29(41)18-22-12-15-39(16-13-22)20-23-14-17-40(21-23)28-9-5-26(6-10-28)32(34,35)36/h2-11,14,17,19,21-22,31H,12-13,15-16,18,20H2,1H3,(H,38,41)
InChIKeySMFCCQJEADYLPJ-UHFFFAOYSA-N
XLogP6.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.63
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(6-Methoxypyridin-3-yl)cyclohexyl]amino-2-[1-(trans-3,4,5-trifluorocinnamoyl)-piperidin-4-yl]-acetamide
CID 57344315
N-[(6-fluoro-3-pyridinyl)methyl]-6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]hexanamide
CID 76284724
US11319299, Example 136
CID 164607904
N-(1-(6-methoxypyridin-3-yl)pentyl)-2-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 45270014
US10717708, Example 129
CID 146521505
US10710967, Example 57
CID 155883281
US10710967, Example 94
CID 155883317
US10710967, Example 152
CID 155883371
US11174250, Example 50
CID 163199853
US11319299, Example 361
CID 164608025
(2S,4R)-1-[2-(6-ethoxy-5-methyl-3-pyridinyl)acetyl]-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 165138499
(2S,4R)-N-[(S)-[5-(3,3-difluorocyclobutyl)-6-fluoro-2-pyridinyl]-phenylmethyl]-1-[2-(6-ethoxy-5-methyl-3-pyridinyl)acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 165140267

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide (CID 11556070) is N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide is COc1ccc(C(NC(=O)CC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is SMFCCQJEADYLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F4N4O2/c1-42-30-11-4-25(19-37-30)31(24-2-7-27(33)8-3-24)38-29(41)18-22-12-15-39(16-13-22)20-23-14-17-40(21-23)28-9-5-26(6-10-28)32(34,35)36/h2-11,14,17,19,21-22,31H,12-13,15-16,18,20H2,1H3,(H,38,41).
What are the key properties of N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 580.63 g/mol, XLogP of 6.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 11556070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).